| SpectraBase Spectrum ID |
HIl9l66rJcY |
| Name |
6-{2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-E1''-enyl]-phenyl}hexyl 6-aminomethylnicotinate bis(hydrochloride) |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H39ClN2O8 |
| InChI |
InChI=1S/C32H38N2O8.Cl/c1-37-27-14-10-22(9-13-26(35)24-18-29(38-2)31(40-4)30(19-24)39-3)17-28(27)41-15-7-5-6-8-16-42-32(36)23-11-12-25(20-33)34-21-23;/h9-14,17-19,21H,5-8,15-16,20,33H2,1-4H3;/b13-9+; |
| InChIKey |
NRXYNYREYOCKQU-KJEVSKRMSA-N |
| Instrument Name |
VARIAN MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm801001d |
| Molecular Weight |
615.123 g/mol |
| SMILES |
Cl.NCc1ccc(C(OCCCCCCOc2c(ccc(c2)\C=C\C(=O)c2cc(c(c(c2)OC)OC)OC)OC)=O)cn1 |
| SPLASH |
splash10-004i-9000000000-0258ae2ed1c217dc5dd0 |
| Source of Spectrum |
AF-52-SM6-5c |
| Wiley ID |
1873643 |
![6-{2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-E1''-enyl]-phenyl}hexyl 6-aminomethylnicotinate bis(hydrochloride)](/api/spectrum/HIl9l66rJcY/structure.png?h=300&w=458 "6-{2'-Methoxy-5'-[3''-oxo-3''-(3''',4''',5'''-trimethoxyphenyl)-prop-E1''-enyl]-phenyl}hexyl 6-aminomethylnicotinate bis(hydrochloride)")
